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CAS 12269-78-2 PYROPHYLLITE molecular structure lightbox
CAS RN: 12269-78-2

PYROPHYLLITE

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260614 500g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS12269-78-2
  • Purity/Analytical Methods: >99.0%
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12269-78-2 / aluminum tris(dihydroxy(oxo)silane)

Standard CAS: 12269-78-2 Multi CAS: No
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
12269-78-2
Multi CAS
No
Molecular Formula
AlH6O9Si3+3
Molecular Weight
261.280000
Exact Mass
260.913500
SMILES
O[Si](=O)O.O[Si](=O)O.O[Si](=O)O.[Al+3]
InChI
InChI=1S/Al.3H2O3Si/c;3*1-4(2)3/h;3*1-2H/q+3;;;
InChIKey
COMOYPSTCCFOIE-UHFFFAOYSA-N

Physical Properties

Physical Description
Black or dark grey powder
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
13
H-bond acceptors
3
H-bond donors
6
Molar refractivity
38.39
TPSA
172.59

LogP / Solubility

WLOGP
-5.22
MLOGP
-4.59
XLogP3
-5.22
Consensus LogP
-5.01
Log S (ESOL)
1.83
Class (ESOL)
Highly soluble
Log S (Ali)
2.07
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
2.98
Class (SILICOS-IT)
Highly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-8.02

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H319 (47.9%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P264+P265, P280, P305+P351+P338, and P337+P317

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